2-penta-1,3-dien-3-yloxyacetic acid

C7H10O3 — CID 91026141

IUPAC2-penta-1,3-dien-3-yloxyacetic acid
SMILESC=CC(=CC)OCC(=O)O
InChIInChI=1S/C7H10O3/c1-3-6(4-2)10-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)
InChIKeyQEAZMRWVMWELFG-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds4

About 2-penta-1,3-dien-3-yloxyacetic acid

2-penta-1,3-dien-3-yloxyacetic acid (PubChem CID 91026141) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-penta-1,3-dien-3-yloxyacetic acid.

Molecular Properties

Compound Name2-penta-1,3-dien-3-yloxyacetic acid
PubChem CID91026141
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-penta-1,3-dien-3-yloxyacetic acid
SMILESC=CC(=CC)OCC(=O)O
InChIInChI=1S/C7H10O3/c1-3-6(4-2)10-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9)
InChIKeyQEAZMRWVMWELFG-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-dien-3-yloxyacetic acid?
The IUPAC name of 2-penta-1,3-dien-3-yloxyacetic acid (CID 91026141) is 2-penta-1,3-dien-3-yloxyacetic acid.
What is the SMILES notation for 2-penta-1,3-dien-3-yloxyacetic acid?
The canonical SMILES for 2-penta-1,3-dien-3-yloxyacetic acid is C=CC(=CC)OCC(=O)O.
What is the InChIKey of 2-penta-1,3-dien-3-yloxyacetic acid?
The InChIKey is QEAZMRWVMWELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-6(4-2)10-5-7(8)9/h3-4H,1,5H2,2H3,(H,8,9).
What are the key properties of 2-penta-1,3-dien-3-yloxyacetic acid?
2-penta-1,3-dien-3-yloxyacetic acid has a molecular weight of 142.15 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,3-dien-3-yloxyacetic acid is sourced from PubChem (CID 91026141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).